Al{sub 4}SiC{sub 4} wurtzite crystal: Structural, optoelectronic, elastic, and piezoelectric properties

Journal Article · Tue Dec 01 00:00:00 EST 2015 · APL Materials

DOI:https://doi.org/10.1063/1.4936667· OSTI ID:22499223

Durand, O. ^[1]; Modreanu, M. ^[2]; Chaussende, D.; Sarigiannidou, E.; Chaix-Pluchery, O. ^[3]

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1. Fonctions Optiques pour les Technologies de l’Information, FOTON UMR 6082, CNRS, INSA de Rennes, 35708 Rennes (France)
2. Tyndall National Institute, University College Cork, Lee Maltings, Cork (Ireland)
3. LMGP, CNRS, Université Grenoble Alpes, 38000 Grenoble (France)

New experimental results supported by theoretical analyses are proposed for aluminum silicon carbide (Al{sub 4}SiC{sub 4}). A state of the art implementation of the density functional theory is used to analyze the experimental crystal structure, the Born charges, the elastic properties, and the piezoelectric properties. The Born charge tensor is correlated to the local bonding environment for each atom. The electronic band structure is computed including self-consistent many-body corrections. Al{sub 4}SiC{sub 4} material properties are compared to other wide band gap wurtzite materials. From a comparison between an ellipsometry study of the optical properties and theoretical results, we conclude that the Al{sub 4}SiC{sub 4} material has indirect and direct band gap energies of about 2.5 eV and 3.2 eV, respectively.

• OSTI ID: 22499223
• Journal Information: APL Materials, Vol. 3, Issue 12; Other Information: (c) 2015 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 2166-532X
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ALUMINIUM
COMPARATIVE EVALUATIONS
CRYSTAL STRUCTURE
CRYSTALS
DENSITY FUNCTIONAL METHOD
ELASTICITY
ELLIPSOMETRY
EV RANGE
OPTICAL PROPERTIES
PIEZOELECTRICITY
SILICON CARBIDES
TENSORS